Elsulfavirine sodium

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MedKoo CAT#: 125241

CAS#: 867365-40-0 (sodium)

Description: Elsulfavirine is a new-generation non-nucleoside reverse transcriptase inhibitor (NNRTI) being developed by Viriom for the treatment and prevention of human immunodeficiency virus (HIV) infections. It is the prodrug of the active compound VM-1500A, a small molecule selective NNRTI, which prevents HIV replication. In June 2017, elsulfavirine received its first global approval in Russia for the treatment of HIV-1 infections in combination with other antiretroviral medicines. Other formulations of this drug are also being evaluated in preclinical and phase II studies for the treatment of HIV infections and/or pre-exposure and post-exposure prophylaxis.

Chemical Structure

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Elsulfavirine sodium
CAS# 867365-40-0 (sodium)
Instruction

Theoretical Analysis

MedKoo Cat#: 125241
Name: Elsulfavirine sodium
CAS#: 867365-40-0 (sodium)
Chemical Formula: C24H16BrCl2FN3NaO5S
Exact Mass: 648.93
Molecular Weight: 651.260
Elemental Analysis: C, 44.26; H, 2.48; Br, 12.27; Cl, 10.89; F, 2.92; N, 6.45; Na, 3.53; O, 12.28; S, 4.92

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 868046-19-9 (free base)   867365-40-0 (sodium)  

Synonym: Elsulfavirine sodium; R-1206 sodium; R1206(sodium salt); Elpida; HKK2U3V1DT

IUPAC/Chemical Name: sodium ((4-(2-(4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetamido)-3-chlorophenyl)sulfonyl)(propionyl)amide

InChi Key: UJFARQSHFFWJHD-UHFFFAOYSA-M

InChi Code: InChI=1S/C24H17BrCl2FN3O5S.Na/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16;/h3-8,10-11H,2,9H2,1H3,(H2,30,31,32,33);/q;+1/p-1

SMILES Code: CCC([N-]S(=O)(C1=CC=C(NC(CC2=CC=C(Br)C(OC3=CC(C#N)=CC(Cl)=C3)=C2F)=O)C(Cl)=C1)=O)=O.[Na+]

Appearance: To be determined

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 651.26 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Al-Salama ZT. Elsulfavirine: First Global Approval. Drugs. 2017 Oct;77(16):1811-1816. doi: 10.1007/s40265-017-0820-3. PMID: 28940154.


2: Li G, Wang Y, De Clercq E. Approved HIV reverse transcriptase inhibitors in the past decade. Acta Pharm Sin B. 2022 Apr;12(4):1567-1590. doi: 10.1016/j.apsb.2021.11.009. Epub 2021 Nov 16. Erratum in: Acta Pharm Sin B. 2023 Aug;13(8):3581. PMID: 35847492; PMCID: PMC9279714.


3: Supuran CT, Nocentini A, Yakubova E, Savchuk N, Kalinin S, Krasavin M. Biochemical profiling of anti-HIV prodrug Elsulfavirine (Elpida®) and its active form VM1500A against a panel of twelve human carbonic anhydrase isoforms. J Enzyme Inhib Med Chem. 2021 Dec;36(1):1056-1060. doi: 10.1080/14756366.2021.1927007. PMID: 34000969; PMCID: PMC8143618.


4: Rai MA, Pannek S, Fichtenbaum CJ. Emerging reverse transcriptase inhibitors for HIV-1 infection. Expert Opin Emerg Drugs. 2018 Jun;23(2):149-157. doi: 10.1080/14728214.2018.1474202. Epub 2018 May 10. PMID: 29737220; PMCID: PMC6158299.


5: Wang Y, De Clercq E, Li G. Current and emerging non-nucleoside reverse transcriptase inhibitors (NNRTIs) for HIV-1 treatment. Expert Opin Drug Metab Toxicol. 2019 Oct;15(10):813-829. doi: 10.1080/17425255.2019.1673367. Epub 2019 Oct 17. PMID: 31556749.


6: Singh AK, Kumar A, Arora S, Kumar R, Verma A, Khalilullah H, Jaremko M, Emwas AH, Kumar P. Current insights and molecular docking studies of HIV-1 reverse transcriptase inhibitors. Chem Biol Drug Des. 2023 Oct 10. doi: 10.1111/cbdd.14372. Epub ahead of print. PMID: 37817296.


7: Battini L, Bollini M. Challenges and approaches in the discovery of human immunodeficiency virus type-1 non-nucleoside reverse transcriptase inhibitors. Med Res Rev. 2019 Jul;39(4):1235-1273. doi: 10.1002/med.21544. Epub 2018 Nov 11. PMID: 30417402.